4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide

C13H27NO3 — CID 113234511

IUPAC4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
SMILESCCOCCCC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C13H27NO3/c1-4-11(5-2)12(15)10-14-13(16)8-7-9-17-6-3/h11-12,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyQHPRKBPPPORFTM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.72
Rot. Bonds10

About 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide

4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide (PubChem CID 113234511) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
PubChem CID113234511
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide
SMILESCCOCCCC(=O)NCC(O)C(CC)CC
InChIInChI=1S/C13H27NO3/c1-4-11(5-2)12(15)10-14-13(16)8-7-9-17-6-3/h11-12,15H,4-10H2,1-3H3,(H,14,16)
InChIKeyQHPRKBPPPORFTM-UHFFFAOYSA-N
XLogP1.72
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-5-hydroxypentanamide
CID 106288862
4-amino-N-(3-ethyl-2-hydroxypentyl)pentanamide;hydrochloride
CID 120562635
4-(4-ethoxybutanoylamino)-3-methylbutanoic acid
CID 81063028
3-(2,2-difluoroethoxy)-N-(3-ethyl-2-hydroxypentyl)propanamide
CID 103525105
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
3-ethoxy-N-(2-hydroxypropyl)propanamide
CID 62589549
4-ethoxy-N-prop-2-enylbutanamide
CID 112728026
4-ethoxy-N-(2-methylprop-2-enyl)butanamide
CID 114618597
2-acetamido-N-(3-ethyl-2-hydroxypentyl)acetamide
CID 103658528
3-(ethylamino)-N-(3-ethyl-2-hydroxypentyl)butanamide
CID 114168522
4-ethoxy-N-(1-hydroxybutan-2-yl)butanamide
CID 112728067
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
CID 162749925

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide?
The IUPAC name of 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide (CID 113234511) is 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide.
What is the SMILES notation for 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide?
The canonical SMILES for 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide is CCOCCCC(=O)NCC(O)C(CC)CC.
What is the InChIKey of 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide?
The InChIKey is QHPRKBPPPORFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-11(5-2)12(15)10-14-13(16)8-7-9-17-6-3/h11-12,15H,4-10H2,1-3H3,(H,14,16).
What are the key properties of 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide?
4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide has a molecular weight of 245.36 g/mol, XLogP of 1.72, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-ethyl-2-hydroxypentyl)butanamide is sourced from PubChem (CID 113234511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).